Name: Name:1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester, (3R)-
Brand: Angene
SKU: AG0017ET
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester, (3R)-

CAS No.:

122536-75-8

Catalog Number:

AG0017ET

Molecular Formula:

C17H24N2O4

Molecular Weight:

320.3835

Catalog Number:

AG0017ET

Chemical Name:

1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester, (3R)-

CAS Number:

122536-75-8

Molecular Formula:

C17H24N2O4

Molecular Weight:

320.3835

MDL Number:

MFCD08704349

IUPAC Name:

benzyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate

InChI:

InChI=1S/C17H24N2O4/c1-17(2,3)23-15(20)18-14-9-10-19(11-14)16(21)22-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)/t14-/m1/s1

InChI Key:

VCCUTXNUDLVCTI-CQSZACIVSA-N

SMILES:

O=C(OC(C)(C)C)N[C@@H]1CCN(C1)C(=O)OCc1ccccc1

Complexity:

413

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.389g/mol

Monoisotopic Mass:

320.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5